2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid

C10H13N3O2S — CID 106972190

IUPAC2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid
SMILESCSc1cc(N(CC(=O)O)C2CC2)ncn1
InChIInChI=1S/C10H13N3O2S/c1-16-9-4-8(11-6-12-9)13(5-10(14)15)7-2-3-7/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyPRIOONRPTUXSCI-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.25
Rot. Bonds5

About 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid

2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid (PubChem CID 106972190) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid
PubChem CID106972190
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid
SMILESCSc1cc(N(CC(=O)O)C2CC2)ncn1
InChIInChI=1S/C10H13N3O2S/c1-16-9-4-8(11-6-12-9)13(5-10(14)15)7-2-3-7/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyPRIOONRPTUXSCI-UHFFFAOYSA-N
XLogP1.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973855
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid
CID 61236046
2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
CID 114474311
2-[cyclopropyl-(6-methyl-2-pyridinyl)amino]acetic acid
CID 83833314
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
2-[cyclopropyl(pyrazin-2-yl)amino]acetic acid
CID 60838156
2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467
2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid
CID 66324707
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine
CID 106973266
2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973430
2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83841041

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid (CID 106972190) is 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid is CSc1cc(N(CC(=O)O)C2CC2)ncn1.
What is the InChIKey of 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is PRIOONRPTUXSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-16-9-4-8(11-6-12-9)13(5-10(14)15)7-2-3-7/h4,6-7H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid?
2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 239.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 106972190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).